pyscfad.scf.hf_lite.kernel#

pyscfad.scf.hf_lite.kernel(mf, conv_tol=1e-10, conv_tol_grad=None, dm0=None)[source]#
Parameters:

  • mf (SCF)

  • conv_tol (float)

  • conv_tol_grad (float)

  • dm0 (ArrayLike | None)

Return type:

tuple[bool, float, Array, Array, Array]